U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H17N7O2
Molecular Weight 387.3947
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AVANBULIN

SMILES

NC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4NCCC#N

InChI

InChIKey=LSFOZQQVTWFMNS-UHFFFAOYSA-N
InChI=1S/C20H17N7O2/c21-10-3-11-23-19-18(25-29-26-19)20-24-15-4-1-2-5-16(15)27(20)12-17(28)13-6-8-14(22)9-7-13/h1-2,4-9H,3,11-12,22H2,(H,23,26)

HIDE SMILES / InChI

Molecular Formula C20H17N7O2
Molecular Weight 387.3947
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:12:12 GMT 2023
Edited
by admin
on Sat Dec 16 15:12:12 GMT 2023
Record UNII
Y7KSX9YI58
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AVANBULIN
USAN   INN  
Official Name English
3-((4-(1-(2-(4-AMINOPHENYL)-2-OXOETHYL)-1H-BENZIMIDAZOL2-YL)-1,2,5-OXADIAZOL-3-YL)AMINO)PROPANENITRILE
Systematic Name English
AVANBULIN [USAN]
Common Name English
PROPANENITRILE, 3-((4-(1-(2-(4-AMINOPHENYL)-2-OXOETHYL)-1H-BENZIMIDAZOL-2-YL)-1,2,5-OXADIAZOL-3-YL)AMINO)-
Systematic Name English
BAL-27862
Code English
avanbulin [INN]
Common Name English
BAL27862
Code English
Code System Code Type Description
PUBCHEM
11176685
Created by admin on Sat Dec 16 15:12:13 GMT 2023 , Edited by admin on Sat Dec 16 15:12:13 GMT 2023
PRIMARY
FDA UNII
Y7KSX9YI58
Created by admin on Sat Dec 16 15:12:13 GMT 2023 , Edited by admin on Sat Dec 16 15:12:13 GMT 2023
PRIMARY
CAS
798577-91-0
Created by admin on Sat Dec 16 15:12:13 GMT 2023 , Edited by admin on Sat Dec 16 15:12:13 GMT 2023
PRIMARY
USAN
GH-37
Created by admin on Sat Dec 16 15:12:13 GMT 2023 , Edited by admin on Sat Dec 16 15:12:13 GMT 2023
PRIMARY
INN
10982
Created by admin on Sat Dec 16 15:12:13 GMT 2023 , Edited by admin on Sat Dec 16 15:12:13 GMT 2023
PRIMARY
NCI_THESAURUS
C169796
Created by admin on Sat Dec 16 15:12:13 GMT 2023 , Edited by admin on Sat Dec 16 15:12:13 GMT 2023
PRIMARY
SMS_ID
300000005948
Created by admin on Sat Dec 16 15:12:13 GMT 2023 , Edited by admin on Sat Dec 16 15:12:13 GMT 2023
PRIMARY
Related Record Type Details
TARGET->INHIBITOR OF AGGREGATION
DESTABILIZED TUBULIN POLYMERS
Related Record Type Details
PRODRUG -> METABOLITE ACTIVE
Related Record Type Details
ACTIVE MOIETY